methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr structure

methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr

TL;DR: methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr (CAS 52454-40-7) is a chemical compound with molecular formula C20H21N5O5 and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyrazin-3-yl]methyl-methylamino]benzoate

Also Known As: methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr, Methyl 4-[({7-[(ethoxycarbonyl)amino]-5-oxo-5,6-dihydropyrido[3,4-b]pyrazin-3-yl}methyl)(methyl)amino]benzoate, METHYL 4-[[4-(ETHOXYCARBONYLAMINO)-2-OXO-3,7,10-TRIAZABICYCLO[4.4.0]DECA-4,6,8,10-TETRAEN-9-YL]METHYL-METHYL-AMINO]BENZOATE, methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyrazin-3-yl]methyl-methylamino]benzoate

CAS: 52454-40-7
Molecular Formula C20H21N5O5
Molecular Weight 411.15 g/mol
LogP 2.3095
Topological Polar Surface Area 126.51 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 411.15427
Heavy Atoms 30
Complexity 1126.6305

Chemical Identifiers

CAS Number 52454-40-7
SMILES CCOC(=O)NC1=CC2=NC=C(N=C2C(=O)N1)CN(C)C3=CC=C(C=C3)C(=O)OC

Product Overview

methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr (CAS 52454-40-7), with molecular formula C20H21N5O5 and molecular weight 411.15 g/mol. IUPAC: methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyrazin-3-yl]methyl-methylamino]benzoate.

🧪
Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →

Chemical Property Profile of methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr

XLogP
2.3095
TPSA (Topological Polar Surface Area)
126.51
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
8
Rotatable Bonds
6
Heavy Atoms
30
Complexity
1126.6305
Exact Mass
411.15427
Monoisotopic Mass
411.15427
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr

The XLogP value of 2.3095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr. The TPSA of 126.51 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr. Following Lipinski's Rule of Five, methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr?

The CAS number of methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr is 52454-40-7.

What is the molecular formula of methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr?

The molecular formula of methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr is C20H21N5O5.

What is the molecular weight of methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr?

The molecular weight of methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr is 411.15 g/mol.

Where can I buy methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr?

You can request a quote for methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr?

Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

🤖 科弘生物 AI 助手 ×
您好!我是 科弘生物 AI 助手。可以问我产品搜索、询价、样品或技术问题。如何帮助您?